Dupilumab / 6wgk

A4DAB093_6wgk_E_F | Source PDB: 6wgk | Chains: E, F | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6757
Max Score
2.3254
Min Score
-3.7331
Total Score
-292.56
Score CDR
-0.0915
Score non-CDR
-0.7642

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLEQPGGSLRLSCAGSGFTFRDYAMTWVRQAPGKGLEWVSSISGSGGNTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKDRLSITIRPRYYGLDVWGQGTTVTVSSASTKGPSVFPLAPCSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESDIVMTQSPLSLPVTPGEPASISCRSSQSLLYSIGYNYLDWYLQKSGQSPQLLIYLGSNRASGVPDRFSGSGSGTDFTLKISRVEAEDVGFYYCMQALQTPYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTQGTTSVTKSFNR input.pdb
Selected Chain(s) E (Heavy), F (Light)
Distance of Aggregation 10 Å
FoldX Energy Minimization Yes
pH Calculations Yes
Downloads Download all data (.tar.gz)

Aggrescan4D Profile

Aggregation-prone (score > 0)
Soluble (score < 0)
Buried (score = 0)

Per-Residue A4D Scores

Download CSV
Minimum Score -3.7331
Maximum Score 2.3254
Average Score -0.6757
Total Score -292.5574

Residues with A4D score > 0.0 are highlighted as aggregation-prone.

Index Residue Chain A4D Score Classification
1 E E -2.1194 Soluble
2 V E -1.3534 Soluble
3 Q E -1.3196 Soluble
4 L E 0.0000 Buried
5 V E 1.1120 Aggregation-prone
6 E E 0.0000 Buried
7 S E -0.4235 Soluble
8 G E -1.0218 Soluble
9 G E -0.8807 Soluble
11 G E -0.7433 Soluble
12 L E -0.3395 Soluble
13 E E -1.1476 Soluble
14 Q E -1.8453 Soluble
15 P E -1.8757 Soluble
16 G E -1.5499 Soluble
17 G E -1.2916 Soluble
18 S E -1.3944 Soluble
19 L E -1.2898 Soluble
20 R E -2.1571 Soluble
21 L E 0.0000 Buried
22 S E -0.3682 Soluble
23 C E 0.0000 Buried
24 A E -0.1605 Soluble
25 G E 0.0000 Buried
26 S E -0.8092 Soluble
27 G E -1.2091 Soluble
28 F E -0.7462 Soluble
29 T E -0.6962 Soluble
30 F E 0.0000 Buried
35 R E -2.1084 Soluble
36 D E -0.4260 Soluble
37 Y E -0.2696 Soluble
38 A E 0.0000 Buried
39 M E 0.0000 Buried
40 T E 0.0000 Buried
41 W E 0.0000 Buried
42 V E 0.0000 Buried
43 R E 0.0000 Buried
44 Q E -1.0067 Soluble
45 A E -1.3081 Soluble
46 P E -1.0292 Soluble
47 G E -1.4853 Soluble
48 K E -2.4494 Soluble
49 G E -1.6600 Soluble
50 L E 0.0000 Buried
51 E E -1.3432 Soluble
52 W E 0.0000 Buried
53 V E 0.0000 Buried
54 S E 0.0000 Buried
55 S E 0.0000 Buried
56 I E 0.0000 Buried
57 S E -0.6919 Soluble
58 G E 0.0000 Buried
59 S E -1.0612 Soluble
62 G E -1.3555 Soluble
63 G E -1.2773 Soluble
64 N E -1.4951 Soluble
65 T E -0.4701 Soluble
66 Y E -0.0018 Soluble
67 Y E -0.4933 Soluble
68 A E 0.0000 Buried
69 D E -2.3472 Soluble
70 S E -1.7026 Soluble
71 V E 0.0000 Buried
72 K E -2.4030 Soluble
74 G E -1.6513 Soluble
75 R E 0.0000 Buried
76 F E 0.0000 Buried
77 T E -0.7682 Soluble
78 I E 0.0000 Buried
79 S E -0.6443 Soluble
80 R E -1.3057 Soluble
81 D E -1.8546 Soluble
82 N E -2.1830 Soluble
83 S E -1.8045 Soluble
84 K E -2.5095 Soluble
85 N E -1.9808 Soluble
86 T E -1.1446 Soluble
87 L E 0.0000 Buried
88 Y E -0.5945 Soluble
89 L E 0.0000 Buried
90 Q E -1.3352 Soluble
91 M E 0.0000 Buried
92 N E -1.6183 Soluble
93 S E -1.3556 Soluble
94 L E 0.0000 Buried
95 R E -2.5407 Soluble
96 A E -1.8368 Soluble
97 E E -2.2991 Soluble
98 D E 0.0000 Buried
99 T E -0.8556 Soluble
100 A E 0.0000 Buried
101 V E 0.0022 Aggregation-prone
102 Y E 0.0000 Buried
103 Y E 0.0000 Buried
104 C E 0.0000 Buried
105 A E 0.0000 Buried
106 K E 0.0000 Buried
107 D E 0.0000 Buried
108 R E -0.2180 Soluble
109 L E 0.0836 Aggregation-prone
110 S E 0.4325 Aggregation-prone
111 I E 1.7122 Aggregation-prone
111A T E 1.2083 Aggregation-prone
111B I E 1.6641 Aggregation-prone
112C R E -0.3416 Soluble
112B P E -0.2873 Soluble
112A R E -0.7859 Soluble
112 Y E 0.0000 Buried
113 Y E 0.1665 Aggregation-prone
114 G E 0.0000 Buried
115 L E 0.0000 Buried
116 D E -0.7560 Soluble
117 V E -0.6225 Soluble
118 W E 0.0000 Buried
119 G E 0.0000 Buried
120 Q E -1.1284 Soluble
121 G E -0.5284 Soluble
122 T E -0.2147 Soluble
123 T E -0.3629 Soluble
124 V E 0.0000 Buried
125 T E -0.7087 Soluble
126 V E 0.0000 Buried
127 S E -0.8968 Soluble
128 S E -0.7588 Soluble
129 A E -0.4924 Soluble
130 S E -0.6186 Soluble
131 T E -0.7888 Soluble
132 K E -1.0937 Soluble
133 G E -1.4022 Soluble
134 P E -0.6895 Soluble
135 S E -0.4319 Soluble
136 V E 0.0000 Buried
137 F E 0.0000 Buried
138 P E -1.2766 Soluble
139 L E 0.0000 Buried
140 A E -0.4351 Soluble
141 P E -0.0023 Soluble
142 C E 0.2924 Aggregation-prone
143 S E -0.3890 Soluble
144 T E -0.3592 Soluble
145 A E -0.1227 Soluble
146 A E 0.0000 Buried
147 L E 0.0000 Buried
148 G E 0.0000 Buried
149 C E 0.0000 Buried
150 L E 0.0000 Buried
151 V E 0.0000 Buried
152 K E 0.0000 Buried
153 D E -0.3420 Soluble
154 Y E 0.0000 Buried
155 F E -0.2649 Soluble
156 P E 0.0000 Buried
157 E E -0.6769 Soluble
158 P E -0.9934 Soluble
159 V E 0.0000 Buried
160 T E -0.8883 Soluble
161 V E -0.5489 Soluble
162 S E -0.5553 Soluble
163 W E 0.0000 Buried
164 N E -0.8732 Soluble
165 S E -0.7239 Soluble
166 G E -0.5926 Soluble
167 A E -0.2657 Soluble
168 L E -0.1153 Soluble
169 T E -0.2034 Soluble
170 S E -0.2081 Soluble
171 G E -0.2309 Soluble
172 V E 0.1506 Aggregation-prone
173 H E -0.2206 Soluble
174 T E 0.0754 Aggregation-prone
175 F E 0.0000 Buried
176 P E -0.2125 Soluble
177 A E 0.2183 Aggregation-prone
178 V E 0.4870 Aggregation-prone
179 L E 1.3436 Aggregation-prone
180 Q E 0.2954 Aggregation-prone
181 S E -0.0658 Soluble
182 S E -0.2271 Soluble
183 G E 0.0278 Aggregation-prone
184 L E 0.1739 Aggregation-prone
185 Y E 0.4760 Aggregation-prone
186 S E 0.0000 Buried
187 L E 0.0000 Buried
188 S E 0.0000 Buried
189 S E 0.0000 Buried
190 V E 0.0000 Buried
191 V E 0.0000 Buried
192 T E -0.1291 Soluble
193 V E 0.0000 Buried
194 P E -0.3673 Soluble
195 S E -0.3289 Soluble
196 S E -0.4948 Soluble
197 S E -0.5500 Soluble
198 L E -0.5382 Soluble
199 G E -1.0366 Soluble
200 T E -0.8043 Soluble
201 K E -1.5553 Soluble
202 T E -1.3460 Soluble
203 Y E 0.0000 Buried
204 T E -1.7241 Soluble
205 C E 0.0000 Buried
206 N E -1.6861 Soluble
207 V E 0.0000 Buried
208 D E -2.5381 Soluble
209 H E 0.0000 Buried
210 K E -2.9726 Soluble
211 P E -1.6858 Soluble
212 S E -1.8614 Soluble
213 N E -2.5523 Soluble
214 T E -2.2601 Soluble
215 K E -2.8577 Soluble
216 V E -1.5666 Soluble
217 D E -2.5186 Soluble
218 K E -2.0697 Soluble
219 R E -2.5878 Soluble
220 V E 0.0000 Buried
221 E E -2.4198 Soluble
222 S E -0.9139 Soluble
1 D F -1.5412 Soluble
2 I F -0.2803 Soluble
3 V F 0.8885 Aggregation-prone
4 M F 0.0000 Buried
5 T F -0.6724 Soluble
6 Q F 0.0000 Buried
7 S F -0.4769 Soluble
8 P F -0.0681 Soluble
9 L F 0.4207 Aggregation-prone
10 S F 0.1023 Aggregation-prone
11 L F -0.0682 Soluble
12 P F -0.5311 Soluble
13 V F 0.0000 Buried
14 T F -1.4254 Soluble
15 P F -1.8094 Soluble
16 G F -1.8330 Soluble
17 E F -2.3361 Soluble
18 P F -2.1084 Soluble
19 A F -1.2143 Soluble
20 S F -0.7146 Soluble
21 I F 0.0000 Buried
22 S F -1.0452 Soluble
23 C F 0.0000 Buried
24 R F -2.3799 Soluble
25 S F 0.0000 Buried
26 S F -0.9243 Soluble
27 Q F -1.5173 Soluble
28 S F -0.7288 Soluble
29 L F 0.0000 Buried
30 L F 1.5905 Aggregation-prone
31 Y F 2.0363 Aggregation-prone
32 S F 1.8325 Aggregation-prone
34 I F 2.3254 Aggregation-prone
35 G F 1.0365 Aggregation-prone
36 Y F 1.5154 Aggregation-prone
37 N F 0.0000 Buried
38 Y F 0.0000 Buried
39 L F 0.0000 Buried
40 D F 0.0000 Buried
41 W F 0.0000 Buried
42 Y F 0.0000 Buried
43 L F -0.5160 Soluble
44 Q F -1.0284 Soluble
45 K F -1.8009 Soluble
46 S F -1.5537 Soluble
47 G F -1.5529 Soluble
48 Q F -2.1467 Soluble
49 S F -1.4676 Soluble
50 P F 0.0000 Buried
51 Q F -1.5628 Soluble
52 L F 0.0000 Buried
53 L F 0.0000 Buried
54 I F 0.0000 Buried
55 Y F -0.2040 Soluble
56 L F 0.0000 Buried
57 G F 0.0000 Buried
65 S F -0.9010 Soluble
66 N F -1.2142 Soluble
67 R F -1.8925 Soluble
68 A F -1.2710 Soluble
69 S F -1.0514 Soluble
70 G F -0.8986 Soluble
71 V F -1.0687 Soluble
72 P F -1.3607 Soluble
74 D F -2.3041 Soluble
75 R F -2.0865 Soluble
76 F F 0.0000 Buried
77 S F -1.4465 Soluble
78 G F 0.0000 Buried
79 S F -0.7993 Soluble
80 G F -1.0957 Soluble
83 S F -0.6042 Soluble
84 G F -0.6564 Soluble
85 T F -1.6569 Soluble
86 D F -2.2581 Soluble
87 F F 0.0000 Buried
88 T F -1.0622 Soluble
89 L F 0.0000 Buried
90 K F -1.5992 Soluble
91 I F 0.0000 Buried
92 S F -2.2714 Soluble
93 R F -3.0265 Soluble
94 V F 0.0000 Buried
95 E F -2.4356 Soluble
96 A F -2.0506 Soluble
97 E F -2.4039 Soluble
98 D F 0.0000 Buried
99 V F 0.0000 Buried
100 G F -0.9249 Soluble
101 F F 0.1290 Aggregation-prone
102 Y F 0.0000 Buried
103 Y F 0.0000 Buried
104 C F 0.0000 Buried
105 M F 0.0000 Buried
106 Q F 0.0000 Buried
107 A F 0.0000 Buried
108 L F 0.1420 Aggregation-prone
109 Q F -1.1082 Soluble
114 T F -0.6524 Soluble
115 P F -0.9579 Soluble
116 Y F 0.0000 Buried
117 T F -0.2805 Soluble
118 F F -0.0235 Soluble
119 G F 0.0000 Buried
120 Q F -1.2916 Soluble
121 G F 0.0000 Buried
122 T F 0.0000 Buried
123 K F -0.3770 Soluble
124 L F 0.0000 Buried
125 E F 0.0000 Buried
126 I F 0.0000 Buried
127 K F -1.0938 Soluble
128 R F -0.8098 Soluble
129 T F 0.2936 Aggregation-prone
130 V F 1.3476 Aggregation-prone
131 A F 0.6647 Aggregation-prone
132 A F 0.3370 Aggregation-prone
133 P F 0.0872 Aggregation-prone
134 S F -0.1117 Soluble
135 V F 0.0000 Buried
136 F F -0.0249 Soluble
137 I F 0.0000 Buried
138 F F 0.0000 Buried
139 P F -0.6957 Soluble
140 P F 0.0000 Buried
141 S F -1.6986 Soluble
142 D F -2.9902 Soluble
143 E F -3.0775 Soluble
144 Q F 0.0000 Buried
145 L F -2.3524 Soluble
146 K F -2.8727 Soluble
147 S F -1.8442 Soluble
148 G F -1.3375 Soluble
149 T F -0.9134 Soluble
150 A F 0.0000 Buried
151 S F 0.0000 Buried
152 V F 0.0000 Buried
153 V F 0.0000 Buried
154 C F 0.0000 Buried
155 L F 0.0000 Buried
156 L F 0.0000 Buried
157 N F 0.0000 Buried
158 N F -0.7489 Soluble
159 F F 0.0000 Buried
160 Y F 0.0000 Buried
161 P F -0.9832 Soluble
162 R F -2.1250 Soluble
163 E F -2.7905 Soluble
164 A F -2.1172 Soluble
165 K F -2.3697 Soluble
166 V F -1.3296 Soluble
167 Q F -0.8016 Soluble
168 W F 0.0000 Buried
169 K F -0.5081 Soluble
170 V F 0.0000 Buried
171 D F -1.6899 Soluble
172 N F -1.4020 Soluble
173 A F -0.2125 Soluble
174 L F 0.6050 Aggregation-prone
175 Q F -0.3833 Soluble
176 S F -0.7398 Soluble
177 G F -1.3707 Soluble
178 N F -1.7383 Soluble
179 S F -1.7276 Soluble
180 Q F -1.8730 Soluble
181 E F -1.9766 Soluble
182 S F -0.8430 Soluble
183 V F -0.2341 Soluble
184 T F -0.7774 Soluble
185 E F -1.9429 Soluble
186 Q F 0.0000 Buried
187 D F -2.0543 Soluble
188 S F -2.3844 Soluble
189 K F -2.6818 Soluble
190 D F -1.9298 Soluble
191 S F 0.0000 Buried
192 T F 0.0000 Buried
193 Y F 0.0000 Buried
194 S F 0.0000 Buried
195 L F 0.0000 Buried
196 S F 0.0000 Buried
197 S F 0.0000 Buried
198 T F -0.9074 Soluble
199 L F 0.0000 Buried
200 T F -0.7432 Soluble
201 L F -0.8808 Soluble
202 S F -1.1440 Soluble
203 K F -2.1953 Soluble
204 A F -1.9916 Soluble
205 D F -2.5526 Soluble
206 Y F 0.0000 Buried
207 E F -3.7331 Soluble
208 K F -3.5592 Soluble
209 H F -3.2360 Soluble
210 K F -3.6526 Soluble
211 V F -2.0274 Soluble
212 Y F 0.0000 Buried
213 A F 0.0000 Buried
214 C F 0.0000 Buried
215 E F -0.7106 Soluble
216 V F 0.0000 Buried
217 T F -1.0634 Soluble
218 Q F -0.9859 Soluble
219 G F -1.0201 Soluble
220 T F -0.4153 Soluble
221 T F -0.2189 Soluble
222 S F -0.2942 Soluble
223 V F 0.2826 Aggregation-prone
224 T F -0.3416 Soluble
225 K F -0.6971 Soluble
226 S F -1.0104 Soluble
227 F F 0.0000 Buried
228 N F -2.6392 Soluble
229 R F -3.3043 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
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Color Legend (B-factor = A4D Score)
Score > 1.5 — highly aggregation-prone
Score 0.5–1.5 — aggregation-prone
Score ≈ 0 — buried
Score −1 to −0.5 — soluble
Score < −2.5 — highly soluble
pH Structure
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A4D Score Threshold
Highlight residues > threshold in the sequence panel
CDR Regions
HCDR1
HCDR2
HCDR3
LCDR1
LCDR2
LCDR3
Display Options

pH-Dependent Aggregation Profiles

A4D scores calculated across 11 pH conditions (4.0–9.0, step 0.5). Click a row to view the structure at that pH. The input structure is globular — max score is recommended for pH analysis.

pH Avg A4D Score Max A4D Score Downloads
4.0 -0.6921 3.2856 CSV PDB
4.5 -0.7369 3.2856 CSV PDB
5.0 -0.79 3.2856 CSV PDB
5.5 -0.8421 3.2856 CSV PDB
6.0 -0.8826 3.2856 CSV PDB
6.5 -0.9027 3.2856 CSV PDB
7.0 -0.9011 3.2856 CSV PDB
7.5 -0.8845 3.2855 CSV PDB
8.0 -0.8595 3.2854 CSV PDB
8.5 -0.8279 3.2849 CSV PDB
9.0 -0.7895 3.2832 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH